(3-methyl-5-propyl-1,2-oxazol-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid

C23H28F3N3O6 — CID 155862462

IUPAC(3-methyl-5-propyl-1,2-oxazol-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCCCc1onc(C)c1C(=O)N1CC2(C1)OCCC2CCOc1ccccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H27N3O4.C2HF3O2/c1-3-6-17-19(15(2)23-28-17)20(25)24-13-21(14-24)16(9-12-27-21)8-11-26-18-7-4-5-10-22-18;3-2(4,5)1(6)7/h4-5,7,10,16H,3,6,8-9,11-14H2,1-2H3;(H,6,7)
InChIKeyQHWVLVRLOQXYQO-UHFFFAOYSA-N
MW499.49 g/mol
LogP3.66
Rot. Bonds7

About (3-methyl-5-propyl-1,2-oxazol-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid

(3-methyl-5-propyl-1,2-oxazol-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155862462) has the molecular formula C23H28F3N3O6 and a molecular weight of 499.49 g/mol. Its IUPAC name is (3-methyl-5-propyl-1,2-oxazol-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3-methyl-5-propyl-1,2-oxazol-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155862462
Molecular FormulaC23H28F3N3O6
Molecular Weight499.49 g/mol
Exact Mass499.19
IUPAC Name(3-methyl-5-propyl-1,2-oxazol-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCCCc1onc(C)c1C(=O)N1CC2(C1)OCCC2CCOc1ccccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H27N3O4.C2HF3O2/c1-3-6-17-19(15(2)23-28-17)20(25)24-13-21(14-24)16(9-12-27-21)8-11-26-18-7-4-5-10-22-18;3-2(4,5)1(6)7/h4-5,7,10,16H,3,6,8-9,11-14H2,1-2H3;(H,6,7)
InChIKeyQHWVLVRLOQXYQO-UHFFFAOYSA-N
XLogP3.66
TPSA114.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3-methyl-5-propyl-1,2-oxazol-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155851762
(3-methyl-5-propyl-1,2-oxazol-4-yl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131692877
1H-indol-2-yl-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155868554
(1-methylindol-5-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155864082
2-(benzenesulfonyl)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155862897
(2-fluorophenyl)-[(8S)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124794597
(5-cyclopropyl-1,2-oxazol-3-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124793474
1-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 131677641
3-methoxy-1-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]propan-1-one
CID 124796368
(1-methylpyrazol-4-yl)-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124817136
(1-ethylpiperidin-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131640842
(4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 124810784

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-propyl-1,2-oxazol-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (3-methyl-5-propyl-1,2-oxazol-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid (CID 155862462) is (3-methyl-5-propyl-1,2-oxazol-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3-methyl-5-propyl-1,2-oxazol-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3-methyl-5-propyl-1,2-oxazol-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid is CCCc1onc(C)c1C(=O)N1CC2(C1)OCCC2CCOc1ccccn1.O=C(O)C(F)(F)F.
What is the InChIKey of (3-methyl-5-propyl-1,2-oxazol-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is QHWVLVRLOQXYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4.C2HF3O2/c1-3-6-17-19(15(2)23-28-17)20(25)24-13-21(14-24)16(9-12-27-21)8-11-26-18-7-4-5-10-22-18;3-2(4,5)1(6)7/h4-5,7,10,16H,3,6,8-9,11-14H2,1-2H3;(H,6,7).
What are the key properties of (3-methyl-5-propyl-1,2-oxazol-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid?
(3-methyl-5-propyl-1,2-oxazol-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 499.49 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-propyl-1,2-oxazol-4-yl)-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155862462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).